CID 9555825

Nsc637082

Structural Information

Molecular Formula
C16H12ClN3O4S
SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)C/C=N/NS(=O)(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C16H12ClN3O4S/c17-11-5-7-12(8-6-11)25(23,24)19-18-9-10-20-15(21)13-3-1-2-4-14(13)16(20)22/h1-9,19H,10H2/b18-9+
InChIKey
LBUPSHDEHNNVLU-GIJQJNRQSA-N
Compound name
4-chloro-N-[(E)-2-(1,3-dioxoisoindol-2-yl)ethylideneamino]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.0237 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.03098 185.0
[M+Na]+ 400.01292 195.3
[M-H]- 376.01642 193.4
[M+NH4]+ 395.05752 200.0
[M+K]+ 415.98686 189.1
[M+H-H2O]+ 360.02096 178.2
[M+HCOO]- 422.02190 200.5
[M+CH3COO]- 436.03755 217.2
[M+Na-2H]- 397.99837 188.8
[M]+ 377.02315 191.6
[M]- 377.02425 191.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.